2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol

C39H27N3O2 — CID 177070747

About 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol

2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol (PubChem CID 177070747) has the molecular formula C39H27N3O2 and a molecular weight of 594.82 g/mol. Its IUPAC name is 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol.

Molecular Properties

• Compound Name: 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol
• PubChem CID: 177070747
• Molecular Formula: C39H27N3O2
• Molecular Weight: 594.82 g/mol
• Exact Mass: 594.37
• IUPAC Name: 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5O)c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5O)c4[2H])n3)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C39H27N3O2/c43-35-21-6-4-19-33(35)28-14-9-17-31(24-28)38-40-37(30-16-8-13-27(23-30)26-11-2-1-3-12-26)41-39(42-38)32-18-10-15-29(25-32)34-20-5-7-22-36(34)44/h1-25,43-44H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D
• InChIKey: YDPRKLSVCJEHMC-OKCIXFDCSA-N
• XLogP: 9.28
• TPSA: 79.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.82
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol?

The IUPAC name of 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol (CID 177070747) is 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol.

What is the SMILES notation for 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol?

The canonical SMILES for 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5O)c4[2H])nc(-c4c([2H])c([2H])c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5O)c4[2H])n3)c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol?

The InChIKey is YDPRKLSVCJEHMC-OKCIXFDCSA-N. The full InChI is InChI=1S/C39H27N3O2/c43-35-21-6-4-19-33(35)28-14-9-17-31(24-28)38-40-37(30-16-8-13-27(23-30)26-11-2-1-3-12-26)41-39(42-38)32-18-10-15-29(25-32)34-20-5-7-22-36(34)44/h1-25,43-44H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D.

What are the key properties of 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol?

2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol has a molecular weight of 594.82 g/mol, XLogP of 9.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5-tetradeuterio-6-[2,3,4,6-tetradeuterio-5-[4-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5-tetradeuterio-6-hydroxyphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenol is sourced from PubChem (CID 177070747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).